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Impressum
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Papers
11. |
Z. Fan, J. Zimmermann, L. Colombi Ciacchi, M. Fischlschweiger
LCT-informed cross-fractionation chromatography revealing degree of crystallinity of single macromolecular species
Submitted
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10. |
D. Campisi, A.G.G.M. Tielens, W. Dononelli
The role of point defect reconstructions and polycyclic aromatic hydrocarbons (PAHs) in silicate dust preservation
Submitted
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9. |
H. Wang, S. Benter, W. Dononelli, T. Neudecker
JEDI: A versatile code for strain analysis of molecular and periodic systems under deformation
Submitted
ChemRxiv
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8. |
A. Pazhedath, L. Bastonero, N. Marzari, M. Simoncelli
First-principles characterization of thermal conductivity in LaPO4-based alloys
Submitted
arXiv
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7. |
M. Vollbrecht, K. Pramanik, L. Colombi Ciacchi, L. Mädler
Investigating the compositional space of gas-phase synthesized fayalitic model slags aiming at cobalt recovery
Journal of Sustainable Metallurgy, accepted (2024)
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6. |
E. Macke, I. Timrov, N. Marzari, L. Colombi Ciacchi
Orbital-resolved DFT+U for molecules and solids
Journal of Chemical Theory and Computation 20, 4824-4843 (2024)
Full text
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5. |
F. Zeller, C.-M. Hsieh, W. Dononelli, T. Neudecker
Computational high-pressure chemistry: ab initio simulations of atoms, molecules and extended materials in the gigapascal regime
WIREs Computational Molecular Science 14, e1708 (2024)
Full text ;
ChemRxiv
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4. |
L. Bastonero, N. Marzari
Automated all-functionals infrared and Raman spectra
npj Computational Materials 10, 55 (2024)
Full text ;
arXiv ;
Materials Cloud Archive
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3. |
Y.-X. Tsai, N.-E. Chang, K. Reuter, H.-T. Chang, T.-J. Yang, S. von Bülow, N. Zerrouki, M. Gecht, C. Penet, I.L. Grothaus, L. Colombi Ciacchi, K.-H. Khoo, G. Hummer, S.-T.D. Hsu; C. Hanus, M. Sikora
Rapid simulation of glycoprotein structures by grafting and steric exclusion of glycan conformer libraries
Cell 187, 1296-1311 (2024)
Full text ;
Press release
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2. |
M.I. Guanipa Ortiz, Y.R. Corrales Ureña, F.H. Baggio Aguiar, D.A.N. Leite Lima, K. Rischka
Enzymatically driven mineralization of a calcium-polyphosphate bleaching gel
Bioengineering 11, 83 (2024)
Full text
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1. |
C. Arend, I.L. Grothaus, M. Waespy, L. Colombi Ciacchi, R. Dringen
Modulation of multidrug resistance protein 1-mediated transport processes by the antiviral drug ritonavir in cultured primary astrocytes
Neurochemical Research 49, 66-84 (2024)
Full text
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Other articles
3. |
A. Reis, S. Vehlken, K. Eickel, P. Götz
Das ganze Objekt verstehen -- Magnetresonanzverfahren in der Kulturerbe-Forschung
Deutsche Schiffahrt 1, 17-20 (2024)
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